1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole

C44H28N2 — CID 118315018

IUPAC1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6cc7ccn(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C44H28N2/c1-3-11-29(12-4-1)30-19-21-36-37-22-20-33(27-40(37)35-16-8-7-15-34(35)39(36)25-30)46-42-18-10-9-17-38(42)41-26-31-23-24-45(43(31)28-44(41)46)32-13-5-2-6-14-32/h1-28H
InChIKeyMORSLKAXGQGDOV-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

About 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole

1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole (PubChem CID 118315018) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
PubChem CID118315018
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6cc7ccn(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C44H28N2/c1-3-11-29(12-4-1)30-19-21-36-37-22-20-33(27-40(37)35-16-8-7-15-34(35)39(36)25-30)46-42-18-10-9-17-38(42)41-26-31-23-24-45(43(31)28-44(41)46)32-13-5-2-6-14-32/h1-28H
InChIKeyMORSLKAXGQGDOV-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130233155
2-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 130233154
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
(4-methylphenyl)-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)methanone;3-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-triphenylen-2-ylpyrrolo[3,2-b]carbazole
CID 160810500
18-phenyl-10-(3-pyridin-4-ylphenyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222805

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole?
The IUPAC name of 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole (CID 118315018) is 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole?
The canonical SMILES for 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole is c1ccc(-c2ccc3c4ccc(-n5c6ccccc6c6cc7ccn(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)cc1.
What is the InChIKey of 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole?
The InChIKey is MORSLKAXGQGDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-11-29(12-4-1)30-19-21-36-37-22-20-33(27-40(37)35-16-8-7-15-34(35)39(36)25-30)46-42-18-10-9-17-38(42)41-26-31-23-24-45(43(31)28-44(41)46)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole?
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 118315018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).